Compound Detail
CHEMBL5182712
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Basic Information
| ChEMBL ID | CHEMBL5182712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABBRXDCHEYVCBL-CCEZHUSRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
5.27
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.59 | 4.59 | 25650.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 4.03 | 4.03 | 94500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 3390.0 | nM | 5.47 | Antiproliferative activity against mouse B16-F10 cells after 72 hrs by MTT assay | 34998058 |
| NCI-H460 | IC50 | = | 18100.0 | nM | 4.74 | Antiproliferative activity against human NCI-H460 cells after 72 hrs by MTT assa... | 34998058 |
| Fibroblast growth factor receptor 1 | IC50 | = | 25650.0 | nM | 4.59 | Inhibition of FGFR1 (unknown origin) using ULight-JAK-1 (Tyr1023) peptide as sub... | 34998058 |
| Fibroblast growth factor receptor 3 | IC50 | = | 94500.0 | nM | 4.03 | Inhibition of FGFR3 (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 2 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 3 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Platelet-derived growth factor receptor beta | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Epidermal growth factor receptor | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HeLa 229 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | NCI-H460 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HCT-116 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | B16-F10 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | L02 | 1 |
Data from ChEMBL 36 via Core Engine